Vibrational Frequencies calculated at MP3=FULL/cc-pVTZ-PP
| Mode Number |
Symmetry |
Frequency (cm-1) |
Scaled Frequency (cm-1) |
IR Intensities (km mol-1) |
Raman Act (Å4/u) |
Dep P |
Dep U |
| 1 |
A1 |
3194 |
3194 |
10.49 |
|
|
|
| 2 |
A1 |
1501 |
1501 |
1.48 |
|
|
|
| 3 |
A1 |
937 |
937 |
0.05 |
|
|
|
| 4 |
B1 |
996 |
996 |
60.25 |
|
|
|
| 5 |
B2 |
3272 |
3272 |
0.47 |
|
|
|
| 6 |
B2 |
952 |
952 |
4.89 |
|
|
|
Unscaled Zero Point Vibrational Energy (zpe) 5425.8 cm
-1
Scaled (by 1) Zero Point Vibrational Energy (zpe) 5425.8 cm
-1
See section
III.C.1 List or set vibrational scaling factors
to change the scale factors used here.
See section
III.C.2
Calculate a vibrational scaling factor for a given set of molecules
to determine the least squares best scaling factor.